copper(2+) ion bis(2-hydroxypropanoate)

• ChemBase ID: 108327
• Molecular Formular: C6H10CuO6
• Molecular Mass: 241.686
• Monoisotopic Mass: 240.97733554
• SMILES: [Cu+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Cu+2]
• InChI: InChI=1S/2C3H6O3.Cu/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
• InChIKey: DYROSKSLMAPFBZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(2-hydroxypropanoate)
• IUPAC Traditional name: copper(2+) dilactate
• Synonyms: CUPRIC LACTATE

Database IDs

• CAS Number: 814-81-3
• PubChem SID: 162094432
• PubChem CID: 13145

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206934

MP Biomedicals Rare Chemical collection